1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone

C16H17NO2S — CID 51641442

IUPAC1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H17NO2S/c18-16(11-14-7-4-10-20-14)17-8-9-19-15(12-17)13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2/t15-/m1/s1
InChIKeyMHOTXHVJQZELCF-OAHLLOKOSA-N
MW287.38 g/mol
LogP2.89
Rot. Bonds3

About 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone

1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 51641442) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID51641442
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H17NO2S/c18-16(11-14-7-4-10-20-14)17-8-9-19-15(12-17)13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2/t15-/m1/s1
InChIKeyMHOTXHVJQZELCF-OAHLLOKOSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone (CID 51641442) is 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is MHOTXHVJQZELCF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(11-14-7-4-10-20-14)17-8-9-19-15(12-17)13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone?
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 287.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 51641442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).